SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4292-4
The vast compositional space of high-entropy materials presents a fundamental challenge for catalyst discovery. Considering 21 candidate elements at a 1% atomic resolution, this combinatorial explosion exceeds 10 billion (>10^10) possibilities, rendering direct experimental exploration impractical. Furthermore, purely data-driven approaches often struggle to comprehend the intrinsic chemical roles of discrete elemental identities, yet they excel at mapping continuous concentration gradients. Recognizing this distinction, we transform this combinatorial explosion into a targeted optimization problem by decoupling elemental selection from compositional ratio refinement. Ultrafast carbon thermal shock (CTS) is first employed to screen viable elemental combinations and establish an optimal quinary framework. Machine learning (ML) is subsequently applied to optimize compositional ratios within this reduced space, where statistical modeling efficiently navigates the remaining high-dimensional landscape. Targeting the oxygen evolution reaction (OER) as a proof-of-concept, our hybrid framework pruned the search space from over 10^10 possible compositions down into 13 systems, ultimately identifying high-entropy oxide (HEO)-Fe17.57Co28.45Ni31.27Mo10.57Zr12.14 as the optimal catalyst. The optimized high-entropy oxide exhibits an overpotential of 240 mV at 10 mA cm−2 and sustains stable operation at 1 A cm−2 for over 600 h in 1 M KOH. Mechanistic analysis reveals that Mo electronically tunes oxygen-intermediate adsorption, while Zr enhances structural robustness, collectively enabling high activity and durability. This work demonstrates that bridging discrete physical screening with continuous data-driven optimization provides an efficient and generalizable pathway for navigating high-dimensional material frontiers.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3579-8
Metal sulfides such as CdS are promising for solar-driven H2O2 production but suffer from rapid charge recombination and severe photocorrosion. This study introduces a dual-functional strategy synergizing sulfur vacancy (Sv) engineering and polydopamine (PDA) coating to overcome these limitations. Sv-CdS nanorods were hydrothermally synthesized with tunable vacancy concentrations, followed by in-situ PDA deposition to construct a direct Z-scheme heterojunction. X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations reveal that the introduction of S vacancies reduces the work function of CdS, facilitating energy level alignment with PDA and enabling efficient electron transfer from CdS to PDA. By tuning the concentration of S vacancies, the charge transfer efficiency can be maximized. As a result, the photocatalytic H2O2 production rate reaches 2539.5 μmol g−1 h−1 under visible light, and further increases to 4395.5 μmol g−1 h−1 after PDA encapsulation—15.6 times higher than that of pristine CdS. Concurrently, PDA enhances O2 adsorption and protects Sv-CdS from photocorrosion. Sv-CdS@PDA exhibited superior photostability compared to Sv-CdS after three consecutive photocatalytic cycles. Mechanistic studies suggest that the Z-scheme heterojunction effectively separates electron-hole pairs: electrons in the conduction band of CdS reduce O2 to ·O2−, which is subsequently converted to H2O2, while holes in the valence band of Sv-CdS oxidize water to replenish O2. This work provides fundamental insights into engineering charge transfer and stability in sulfide-based photocatalysts.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3559-5
Polyamide (PA) membranes are promising for lithium extraction from spent lithium-ion battery (LIB) leachate but face a trade-off between selectivity and permeability. Here, we demonstrate that nascent PA membranes post-grafted with triaminoguanidinium (TAG) monomers (PA-TAG membranes) gain expanded ion passage channels (0.8–7.1 Å) and enhanced positive charge, achieving high-performance lithium separation. The PA-TAG membrane exhibits a pure water permeance (PWP) of 15.5 L m−2 h−1 bar−1, superior divalent ion rejection (~98%), and an excellent separation factor (~30), significantly outperforming pristine PA membranes. In a simulated acidic battery leachate, the PA-TAG membrane achieved a relative volumetric lithium recovery rate of 48.2% after a two-stage nanofiltration process, with the Li+/M2+ mass ratio of the second permeate reaching 53.35, 445 times that of the feed (0.12). The membrane maintained stable performance over 45 hours of nanofiltration and resisted acidic conditions (pH=2) for at least 20 days. These results highlight the potential of PA-TAG membranes for efficient lithium extraction from acidic battery leachate, addressing the critical need for sustainable recycling of spent LIBs.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3610-7
Electrochemical CO2 reduction reaction (CO2RR) offers an attractive route to produce value-added multicarbon (C2+) products, yet suffers from competing hydrogen evolution and monocarbon production. Here, we propose a dual-confinement effect on CO2 reactant and *CO intermediate, induced by tuning the pore configuration of reconstructed covalent organic frameworks (RC-COFs). The highly crystalline microporous RC-COF-1, when coated on a Cu electrode, enhances local CO2 concentration and restricts CO diffusion, thereby promoting C-C coupling. In acidic electrolyte, the RC-COF-1@Cu electrode achieves a maximum C2+ Faradaic efficiency (FE) of 67.0% at 500 mA cm−2, while maintaining a total carbon product FE above 90% across a broad current density range (100–500 mA cm−2). Experimental and theoretical analyses confirm that the ordered micropores of RC-COF-1 modulate reactant adsorption and intermediate diffusion, leading to improved C2+ selectivity. This work underscores the critical role of COF pore architecture in microenvironment engineering for heterogeneous catalysis.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3728-5
Biological intelligence achieves exceptional energy efficiency and environmental adaptability, exemplified by the human brain's ~20 W resting power consumption. A key strategy is the use of multi-ions as signal carriers for transduction and processing. Iontronics, employing ions instead of electrons, offer a promising route to low-energy, heat-dissipation-free devices for memory, sensing, and neuromorphic computing. However, conventional iontronics require external voltage bias to drive ion motion, complicating miniaturization and integration. Here, we highlight a recent breakthrough by Guo et al. reporting a bias-free iontronic memory sensor ('memsensor') that operates by controlling surface ion migration. The device couples vanadium dioxide (VO2) with a low-work-function indium (In) patch. Upon immersion in NaCl solution, In3+ ions generated electrochemically within the Debye length are driven by the intrinsic surface electric field to diffuse into the VO2 surface, inducing an insulator-to-metal phase transition and a measurable, non-volatile change in surface conductance. This conductance state correlates with NaCl concentration and can be reversibly restored by H2O2 treatment. The memsensor emulates the gustatory plasticity of C. elegans, mimicking the response dynamics of ASEL and ASER neurons. In a proof-of-concept, a model boat equipped with the memsensor exhibits adaptive chemotaxis: after 'starvation' training in high NaCl concentration, it avoids high-concentration zones; conversely, after training in low concentration, it migrates toward high-concentration zones. This work demonstrates a bias-free strategy for programmable memory and sensing, potentially advancing autonomous microsystems and bioinspired electronics.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3772-y
Conformal contact between functional electronic films and biological surfaces is critical for long-term device stability, high signal sensitivity, and favorable signal-to-noise ratio. Traditional transfer methods, such as soft stamps and pad printing, often involve mechanical pressing, leading to poor conformality, localized stress concentration, or structural failure. Alternative strategies, including geometric engineering of non-stretchable materials or using stretchable organic alternatives, mitigate these issues but increase design complexity and reduce fabrication efficiency. Here, we highlight a novel 'drop-printing' strategy introduced by Li et al. that leverages capillary force to manipulate a water droplet to pick up a thin film, transfer it to a target substrate, and print it onto the surface. As the droplet evaporates, the film conformally wraps the surface. The droplet acts as a lubricating layer, while interfacial liquid penetrating microstructures generates capillary pressure, facilitating shape-adaptive deformation and significantly reducing stress concentration. The final positioning and conformality are governed by droplet behavior on the target surface. This approach achieves positional deviation of less than 20 μm via regulation of three-phase contact lines. The strategy enables damage-free conformal wrapping of non-stretchable films onto three-dimensional biological surfaces, as demonstrated by drop-printed silicon microfilm conformally wrapping on a rat brain, with successful NIR laser stimulation triggering forelimb movement and synchronized brain electrophysiological signals. This gentle, high-precision method addresses the pressing need for low-stress conformal bioelectronics, offering a general solution for diverse biological interfaces.
The Chinese Journal of Process Engineering•2026•DOI: 10.12034/j.issn.1009-606X.225246
The development of efficient catalyst classification technologies is crucial for optimizing fluid catalytic cracking (FCC) and catalytic pyrolysis coupling processes, where distinct particle size distributions are required for different reaction pathways. In this study, a large-scale cold-model experimental platform of a multi-arm vortex separator is established to explore the influence of operating conditions on classification behavior. Systematic experiments are conducted by changing ejection gas velocity (8~20 m/s), inlet particle concentration (30~70 g/m3), and bed linear velocity (0.15~0.25 m/s). The results demonstrate that ejection gas velocity governs classification sharpness by controlling the entrainment of fines within the coarse fraction. The increase in ejection gas velocity enlarges the upward axial gas velocity inside the device, thereby enhancing the entrainment effect on particles near the vortex arm outlets. Increasing the ejection gas velocity from 12 to 16 m/s reduces proportion of fine particles in coarse components from 14% to 12%. The inlet particle concentration imposes competing effects on classification performance: while higher concentrations promote agglomeration and modify turbulence distribution, excessive loading intensifies fine-particle entrainment, thereby diminishing classification selectivity. The system maintains stable pressure drop characteristics under different bed linear velocities, with the pressure drop increasing by maximum of about 15% when the bed linear velocity is raised from 0.15 m/s to 0.25 m/s. Analysis of grade efficiency curves reveals classical S-shaped profiles with cut sizes (dc50) shifting under different operating regimes. Higher particle concentrations reduces dc50, favoring fine-particle removal, while higher ejection gas velocities enlarge dc50, moving the classification boundary toward larger sizes. These findings confirm the synergistic effect of ejection gas velocity and inlet concentration, highlighting that rational parameter matching can simultaneously improve efficiency and selectivity. Beyond the experimental findings, this work emphasizes the broader applicability of multi-arm vortex separators in refining and petrochemical processes. By enabling precise adjustment of particle size distribution, the system offers a promising pathway for enhancing catalyst utilization, extending catalyst lifetime, and facilitating process intensification in coupled FCC-pyrolysis units.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3779-1
Comprehensive mechanical properties, including hardness (H), elastic modulus (E), fracture toughness (KC), and wear resistance, are essential for oxide ceramics used in demanding environments. This work employs nanoindentation to evaluate these properties for RE3TaO7 (RE=La, Sm, Eu, Gd, Dy, Lu) and identifies the optimal calculation method for KC in brittle oxide ceramics. The ratio of indentation crack length to half-diagonal (l/α) is a key parameter: Eq. (3) is suitable when l/α < 1, while Eq. (4) applies when l/α > 1. The indentation energy method is invalid for brittle ceramics due to crack formation at high loads. RE3TaO7 oxides exhibit H of 5.8–14.9 GPa, E of 127.5–247.8 GPa, and KC of 1.0–2.0 MPa·m1/2, surpassing RE2Zr2O7 (KC 1.0–1.5 MPa·m1/2). Wear resistance, indicated by MDP, ranges from 0.55 to 0.67, outperforming RE2Zr2O7. The superior fracture toughness is attributed to weberite structure with crack deflection and tortuous propagation, contrasted with pyrochlore's straight cracks. These findings provide accurate nanoindentation-based methods for assessing mechanical properties of brittle oxide ceramics, facilitating material discovery and optimization for thermal barrier coatings and other high-temperature applications.
New Carbon Materials•2026•DOI: 10.1016/S1872-5805(26)61104-3
Lithium/fluorinated carbon (Li/CFx) batteries are among the most promising high-energy-density primary batteries, yet substantial heat generation during discharge poses safety concerns, particularly for high-mass-loaded pouch cells. This study systematically investigates the effects of fluorination temperature on the structure and kinetics of fluorinated porous carbon (FPC) cathodes and on heat generation in Ah-level Li/FPC pouch cells. FPC samples with varying degrees of fluorination were synthesized by adjusting fluorination temperature, which influenced not only the F/C ratio but also the C–F bonding configuration, pore structure, and electronic transport capability. Pouch cells employing more highly fluorinated cathodes generated the most heat during discharge, with heat generation exhibiting clear stage dependence, predominantly in the 0–20% depth of discharge (DOD) range. Post-discharge structural characterization and kinetic analysis revealed that highly fluorinated FPC cathodes (FPC-250) undergo more concentrated LiF accumulation, leading to higher charge-transfer resistance, stronger polarization, lower Li+ diffusivity, and higher nucleation overpotential. These factors collectively intensify early-stage heat generation. The study establishes a correlation between fluorination temperature and cathode structure, discharge-product evolution, discharge kinetics, and heat generation, demonstrating that regulating fluorination temperature is an effective strategy for improving the thermal safety of Li/CFx batteries.
Environmental Chemistry•2026•DOI: 10.0000/202605-1
A method for the determination of hydrazoic acid and sodium azide in workplace air was established using ion chromatography with suppressed conductivity detection. Vapor and mist states of hydrazoic acid were collected in 40 mg·L−1 KOH absorption solution, while sol states of hydrazoic acid or sodium azide were collected on microporous membranes and eluted with 40 mg·L−1 KOH. Separation was performed on a Dionex IonPac™ AS11-HC (250 mm × 4.0 mm) anion analytical column with KOH gradient elution, followed by suppressed conductivity detection. The azide ion (N3−) exhibited good linearity in the range of 0.005–0.5 mg·L−1, with a correlation coefficient (r) of 0.9997. The limit of detection (S/N=3) was 0.002 mg·L−1, and the limit of quantification (S/N=10) was 0.005 mg·L−1. The minimum quantifiable concentrations in air were 0.00256 mg·m−3 for hydrazoic acid and 0.00387 mg·m−3 for sodium azide, based on a 10.0 mL sample solution and a 20 L air sample. Spiked recoveries ranged from 92.0% to 100.4%, with relative standard deviations (RSD, n=6) between 0.76% and 2.51%. The method is efficient, accurate, and sensitive, suitable for monitoring and safety assessment of hydrazoic acid and sodium azide in workplace air.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3897-6
Decoding the nature of catalytically active sites is an essential prerequisite for the rational design of catalysts for electrochemical H2O2 synthesis, but faces significant challenges, particularly for controversial cobalt single-atom catalysts (Co SACs). Herein, we report trace Co single-atom sites embedded within pyridinic N-rich carbon nanospheres (Co1-NNH3-C), synthesized via a self-assembly coupled surface-coating strategy. The Co1-NNH3-C catalyst demonstrates remarkable H2O2 selectivity (99%) and activity at current density of −3.5 mA cm−2 in 0.1 M H2SO4. Through a combined approach of molecular probe experiments, surface modification, and density functional theory (DFT) calculations, we disclose that pyridinic N, rather than Co single atoms, serves as the direct active site for 2e− oxygen reduction reaction (ORR). The trace Co (0.05 wt%) indirectly facilitated pyridinic N formation during pyrolysis but exhibits negligible direct catalytic involvement. DFT reveals pyridinic N sites optimize OOH intermediate adsorption (ΔG*OOH = 4.0 eV) and minimize reaction overpotential of 0.20 V, enabling scalable H2O2 production (907.5 mmol gcat−1 h−1). This work redefines the role of trace metal in SACs, providing a paradigm for designing metal-induced carbon catalysts for sustainable electrosynthesis for H2O2.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025030403
Microplastics (MPs) act as vectors for co-migrating antibiotics and heavy metals, forming complex pollution systems with potential joint toxicity. However, the differential adsorption behaviors and underlying mechanisms of MPs toward organic versus inorganic pollutants remain insufficiently understood. This study selected polypropylene (PP) microplastics, a major component of agricultural plastic films, and investigated the adsorption of sulfamethoxazole (SMX) and Cr(VI) onto aged PP under varying environmental conditions. Results demonstrated that aging increased the maximum adsorption capacity by 2–3 times for both pollutants. Notably, aged PP exhibited approximately 30 times higher adsorption capacity for SMX than for Cr(VI). Characterization revealed that aging introduced oxygen-containing functional groups (e.g., carbonyl) on the MP surface, enhancing adsorption. Mechanistic analysis indicated that hydrogen bonding and electrostatic interactions dominated SMX adsorption, while Cr(VI) adsorption was primarily governed by electrostatic interactions and pore-filling. The stronger intermolecular forces for SMX compared to reversible pore-filling for Cr(VI) explained the observed differences. Increasing pH induced electrostatic repulsion, reducing adsorption of both pollutants. High concentrations of Na+ and Mg2+ caused charge shielding, potentially enhancing Cr(VI) adsorption but inhibiting SMX adsorption due to competition for active sites. The presence of organic matter (humic acid) had negligible effects on Cr(VI) adsorption but reduced SMX adsorption, likely due to complexation. These findings elucidate distinct molecular-level pathways for organic versus inorganic pollutant adsorption on aged MPs, highlighting the roles of hydrogen bonding and pore-filling in driving differential behaviors.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3889-6
Photocatalytic hydrogen production is fundamentally limited by inefficient charge separation and asynchronous supply of electrons and protons to active sites. Here, we designed a ZnIn2S4/ZnCo2S4 (ZIS/ZCS) heterojunction with an atomically coherent interface achieved via an ultralow lattice mismatch of 0.05%. This unique structure promotes rapid electron transfer through a built-in electric field and facilitates continuous proton migration via a hydrogen spillover effect, thereby synchronizing electron and proton delivery at the catalytic interface. This dual regulation of electrons and protons synergistically promotes proton-coupled electron transfer, resulting in a high hydrogen evolution rate of 70.3 mmol g−1 h−1 and selective oxidation of benzyl alcohol to aldehyde (39.3 mmol g−1 h−1) with 93.6% selectivity. This work demonstrates the critical importance of lattice match and dual charge-proton management in designing efficient photocatalysts for complex redox reactions.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2026022502
This study investigates the effects of different land use types on topsoil carbon (C) and nitrogen (N) contents and their spatial distribution in the lower reaches of the Sancha River Basin, a karst region of the Yunnan-Guizhou Plateau. Grid sampling collected 0–20 cm topsoil from forestland (n=23), cultivated land (n=25), and grassland (n=32). Total C and N were measured. Results showed that topsoil C content followed grassland (40.36±22.92 g·kg−1) > forestland (37.05±12.83 g·kg−1) > cultivated land (34.06±14.57 g·kg−1), while N content followed forestland (2.89±0.76 g·kg−1) > grassland (2.67±1.19 g·kg−1) > cultivated land (2.50±0.65 g·kg−1). One-way ANOVA revealed no significant differences among land use types (P>0.05). Soil C and N were significantly positively correlated across all land uses (r>0.5, P<0.001). Coefficient of variation (CV) indicated grassland had the highest C variability (0.57), while forestland showed the most stable C and N (CV=0.35 and 0.26, respectively). Cultivated land had CVs of 0.43 for C and 0.26 for N. Spatially, forestland exhibited concentrated high C values with significant N heterogeneity; grassland had higher C in southern and eastern areas but scattered distribution, with generally low and variable N; cultivated land showed uniform but lowest C and N. Land use types significantly drive topsoil C and N dynamics through vegetation input, soil disturbance, and management practices, underscoring the importance of rational land use planning for enhancing carbon sink functions and sustainable development in karst watersheds.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025040401
Conventional zero-valent iron (ZVI) suffers from limited electron transfer due to its dense surface oxide layer. This study introduces a mechanochemical ball-milling strategy incorporating sodium chloride (NaCl) with ZVI to fabricate chloride-modified ZVI (Cl-ZVIbm). Using hexavalent chromium (Cr(VI)) as a model pollutant, Cl-ZVIbm exhibited a 76.5-fold enhancement in removal kinetics (0.0306 min−1 vs. 0.0004 min−1) compared to ball-milled ZVI (ZVIbm), achieving complete removal of 2 mg·L−1 Cr(VI) within 120 min. Spectroscopic characterization and density functional theory (DFT) calculations revealed dual regulation mechanisms: (1) Cl− substitution of surface hydroxyl groups alters coordination environments, enabling Cr(VI) adsorption via a bidentate binuclear configuration with adsorption energy reduced from –0.28 eV to –1.64 eV; (2) The strong electron-withdrawing effect of Cl− drives directional electron migration from the iron core to the surface, increasing surface Fe(II) content by 26.9% (67.5% vs. 53.2%) and facilitating direct electron transfer to reduce 99.5% of Cr(VI) into low-toxicity Cr(III). Notably, chloride leaching during reactions was only 0.0126 mmol·L−1, far below industrial wastewater discharge standards, confirming environmental compatibility. This work provides atomic-scale insights into chloride-mediated electronic modulation on ZVI surfaces, offering novel principles for interfacial engineering of environmental functional materials and a theoretical basis for heavy metal remediation technologies.